In this work, the impact of nitrogen doping (N-doping) on the distribution of sub-gap states in amorphous InGaZnO (a-IGZO) thin-film transistors (TFTs) is qualitatively analyzed by technology computer-aided design (TCAD) simulation. According to the experimental characteristics, the numerical simulation results reveal that the interface trap states, bulk tail states, and deep-level sub-gap defect states originating from oxygen-vacancy- (V_o) related defects can be suppressed by an appropriate amount of N dopant. Correspondingly, the electrical properties and reliability of the a-IGZO TFTs are dramatically enhanced. In contrast, it is observed that the interfacial and deep-level sub-gap defects are increased when the a-IGZO TFT is doped with excess nitrogen, which results in the degeneration of the device’s performance and reliability. Moreover, it is found that tail-distributed acceptor-like N-related defects have been induced by excess N-doping, which is supported by the additional subthreshold slope degradation in the a-IGZO TFT.